SCHEMBL1226656

SCHEMBL1226656

Cc1[c]cc(-n2ncccc2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1225354 0.83 CA12 (0.35) CA12CA1CA2CA9CYP3A4
SCHEMBL5843150 0.77 CA12 (0.41) CA12CA1CA2CA9SLC6A2
SCHEMBL3342417 0.74 CA12 (0.38) CA12CA1CA2CA9SLC6A2
SCHEMBL1225380 0.73 CA12 (0.49) CA12CA1CA2CA9SLC6A2
SCHEMBL28026330 0.72 MAPK14 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL3342413 0.70 MKNK2 (0.39) CA12CA1CA2CA9CYP3A4
SCHEMBL29594292 0.68 MGLL (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL20876908 0.68 MGLL (0.44) CA12CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL29437754 0.67 MGLL (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL17059042 0.67 CA12 (0.39) CA12CA1CA2CA9CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
CN-102471284-A Dihydropyrimidone amides as P2X7 modulators HOFFMANN LA ROCHE 2012-05-23 CN disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 CA12 4774/4885CA1 3391/4885CA2 2046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.